UCSF

ZINC07661018

Substance Information

In ZINC since Heavy atoms Benign functionality
June 10th, 2006 27 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.77 4.7 -53.05 3 8 1 90 382.481 10
Mid Mid (pH 6-8) 1.77 2.51 -19.64 2 8 0 89 381.473 10

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )